SCHEMBL4790187

SCHEMBL4790187

CC1CC(c2ccncc2)=CCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CDC7 O00311 2/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.33
NISCH Q9Y2I1 1/20 0.32
KIT P10721 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
NOTUM Q6P988 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5120309 0.80 CYP11B1 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4790146 0.79 NISCH (0.41) MAPTNISCH
Hydrochloric Acid SCHEMBL28823803 0.79 CHRNB2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4CDC7
SCHEMBL4789908 0.78 PTGS1 (0.34) MAPTLMNAGAA
SCHEMBL4789628 0.78 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL578563 0.78 HTR2C (0.50) MAPTLMNAMAPK1
SCHEMBL4790395 0.78 SIGMAR1 (0.50)
SCHEMBL4789875 0.77 CCNT1 (0.33) CDC7HSP90AA1MAPK1MAPK14MAPK13
SCHEMBL5120222 0.77 HTR2C (0.38) NISCH
SCHEMBL7747172 0.70 QDPR (0.53) MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015271-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THE USE AS A MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 WO disclosed
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine MERZ PHARMA GMBH & CO. KGAA (DE) 2008-02-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080032998-A1 Pyrazolopyrimidines, a process for their preparation and their use as medicine GRM5, GRM1, GRIK5 CHRNB2 1568/4885CHRNB4 1264/4885CHRNA3 951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.